Structure Database (LMSD)
Common Name
Methyl (2E,6Z)-dodecadienoate
Systematic Name
methyl (2E,6Z)-dodeca-2,6-dienoate
Synonyms
3D model of Methyl (2E,6Z)-dodecadienoate
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Main
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
IYSZVOVZPVKXIJ-OFALOCIGSA-N
InChi (Click to copy)
InChI=1S/C13H22O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h7-8,11-12H,3-6,9-10H2,1-2H3/b8-7-,12-11+
SMILES (Click to copy)
COC(=O)/C=C/CC/C=C\CCCCC
References
Calculated Physicochemical Properties
Heavy Atoms
15
Rings
0
Aromatic Rings
0
Rotatable Bonds
9
Van der Waals Molecular Volume
243.12
Topological Polar Surface Area
26.30
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
logP
3.63
Molar Refractivity
63.67
Admin
Created at
-
Updated at
6th Jun 2022